SCHEMBL8475795

SCHEMBL8475795

O=C(c1ccc2c(c1)O2)N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.71
TSHR P16473 2/20 0.71
RECQL P46063 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
ALDH1A1 P00352 4/20 0.69
HSD17B10 Q99714 1/20 0.62
CNR1 P21554 1/20 0.59
GRIA3 P42263 1/20 0.56
GRIA4 P48058 1/20 0.56
CHRNA7 P36544 1/20 0.53
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11801188 0.85 HPGD (0.61) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL11798146 0.84 HPGD (0.59) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL13486221 0.83 HPGD (1.00) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL244490 0.83 HPGD (1.00) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL14140751 0.83 HPGD (1.00) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL244547 0.83 HPGD (1.00) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL5970063 0.81 HPGD (1.00) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL5806651 0.80 HPGD (0.62) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL5806652 0.80 HPGD (0.62) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL5971399 0.80 HPGD (0.62) HPGDTSHRRECQLCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919797-A DIAGNOSIS, THERAPY PSYCHOLOGICAL DISORDERS EMORY UNIVERSITY (US) 1999-07-06 US disclosed